smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)C[NH2+]CC[NH3+]	19364937	166121939	/nfs/dbraw/zinc/12/19/39/166121939.db2.gz	DDOHLBXQNUTMBP-UHFFFAOYSA-N	2	1	114.192	0.111	40	30	in-vitro	ACEBMP
C=CC[N@@H+]1CCC=C1CN	100011349	166175191	/nfs/dbraw/zinc/17/51/91/166175191.db2.gz	MZBGGZQXGJSFPH-UHFFFAOYSA-N	2	1	138.214	0.721	40	30		ACEBMP
C=CCN1CCC=C1C[NH3+]	100011349	166175195	/nfs/dbraw/zinc/17/51/95/166175195.db2.gz	MZBGGZQXGJSFPH-UHFFFAOYSA-N	2	1	138.214	0.721	40	30		ACEBMP
C=CC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H](C2)C1	95093754	166179118	/nfs/dbraw/zinc/17/91/18/166179118.db2.gz	VQKAZTUIWVSGRI-AOOOYVTPSA-N	2	1	166.268	0.714	40	30		ACEBMP
C=CC[NH2+]C[C@H](O)C[NH+](CC)CC	2044757	166187976	/nfs/dbraw/zinc/18/79/76/166187976.db2.gz	KMPRAIZLCIPHAT-JTQLQIEISA-N	2	1	186.299	0.465	40	30		ACEBMP
C=CC[NH2+]C[C@@H](O)C[NH+](CC)CC	1681462	166188712	/nfs/dbraw/zinc/18/87/12/166188712.db2.gz	KMPRAIZLCIPHAT-SNVBAGLBSA-N	2	1	186.299	0.465	40	30		ACEBMP
C[C@@H](CNC(=[NH2+])NC1CC1)[NH+](C)C	52043014	168347254	/nfs/dbraw/zinc/34/72/54/168347254.db2.gz	YJTTUENHMFKMEV-ZETCQYMHSA-N	2	1	184.287	0.003	40	30		ACEBMP
N#CCCCC[N@@H+]1CCC[NH2+]CC1	37399815	171063968	/nfs/dbraw/zinc/06/39/68/171063968.db2.gz	LWSCLJDSPHGZIH-UHFFFAOYSA-N	2	1	181.283	0.976	40	30		ACEBMP
N#CCCCC[N@H+]1CCC[NH2+]CC1	37399815	171063970	/nfs/dbraw/zinc/06/39/70/171063970.db2.gz	LWSCLJDSPHGZIH-UHFFFAOYSA-N	2	1	181.283	0.976	40	30		ACEBMP
C[C@H](CNC(=[NH2+])NC1CC1)[NH+](C)C	52043016	343299085	/nfs/dbraw/zinc/29/90/85/343299085.db2.gz	YJTTUENHMFKMEV-SSDOTTSWSA-N	2	1	184.287	0.003	40	30		ACEBMP
C[NH+]1CCC(=[NH+]n2cnnc2)CC1	66345830	343410395	/nfs/dbraw/zinc/41/03/95/343410395.db2.gz	YXXBJSIAEQQZHA-UHFFFAOYSA-N	2	1	179.227	0.208	40	30		ACEBMP